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2'-Trifluoromethoxyphenyl acetylene

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Name

2'-Trifluoromethoxyphenyl acetylene

EINECS N/A
CAS No. 886363-40-2 Density 1.27 g/cm3
PSA 9.23000 LogP 2.56650
Solubility N/A Melting Point N/A
Formula C9H5F3O Boiling Point 166.8 °C at 760 mmHg
Molecular Weight 186.13 Flash Point 60.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 886363-40-2 (2'-TRIFLUOROMETHOXYPHENYL ACETYLENE) Hazard Symbols N/A
Synonyms

1-Ethynyl-2-(trifluoromethoxy)benzene;

 

2'-Trifluoromethoxyphenyl acetylene Specification

This chemical is called Benzene, 1-ethynyl-2-(trifluoromethoxy)-, and its systematic name is 1-Ethynyl-2-(trifluoromethoxy)benzene. With the molecular formula of C9H5F3O, its molecular weight is 186.13. The CAS registry number of this chemical is 886363-40-2.

Other characteristics of the Benzene, 1-ethynyl-2-(trifluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.466; (9)Molar Refractivity: 40.54 cm3; (10)Molar Volume: 146.2 cm3; (11)Polarizability: 16.07×10-24cm3; (12)Surface Tension: 31.1 dyne/cm; (13)Density: 1.27 g/cm3; (14)Flash Point: 60.8 °C; (15)Enthalpy of Vaporization: 38.67 kJ/mol; (16)Boiling Point: 166.8 °C at 760 mmHg; (17)Vapour Pressure: 2.31 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)Oc1ccccc1C#C
2.InChI: InChI=1/C9H5F3O/c1-2-7-5-3-4-6-8(7)13-9(10,11)12/h1,3-6H
3.InChIKey: QWFMOKRCLHCPSJ-UHFFFAOYAT

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